N-(1-aminoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide

C19H35F3N4O3 — CID 166156897

IUPACN-(1-aminoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide
SMILESCC(C)C.CC(N)NC=O.C[C@@H]1C2C(CN1C(=O)CNC(=O)C(F)(F)F)C2(C)C
InChIInChI=1S/C12H17F3N2O2.C4H10.C3H8N2O/c1-6-9-7(11(9,2)3)5-17(6)8(18)4-16-10(19)12(13,14)15;1-4(2)3;1-3(4)5-2-6/h6-7,9H,4-5H2,1-3H3,(H,16,19);4H,1-3H3;2-3H,4H2,1H3,(H,5,6)/t6-,7?,9?;;/m1../s1
InChIKeyLTSFGOVPSZGHKB-HQRYJHMPSA-N
MW424.51 g/mol
LogP1.87
Rot. Bonds4

About N-(1-aminoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide

N-(1-aminoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide (PubChem CID 166156897) has the molecular formula C19H35F3N4O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is N-(1-aminoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-(1-aminoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide
PubChem CID166156897
Molecular FormulaC19H35F3N4O3
Molecular Weight424.51 g/mol
Exact Mass424.27
IUPAC NameN-(1-aminoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide
SMILESCC(C)C.CC(N)NC=O.C[C@@H]1C2C(CN1C(=O)CNC(=O)C(F)(F)F)C2(C)C
InChIInChI=1S/C12H17F3N2O2.C4H10.C3H8N2O/c1-6-9-7(11(9,2)3)5-17(6)8(18)4-16-10(19)12(13,14)15;1-4(2)3;1-3(4)5-2-6/h6-7,9H,4-5H2,1-3H3,(H,16,19);4H,1-3H3;2-3H,4H2,1H3,(H,5,6)/t6-,7?,9?;;/m1../s1
InChIKeyLTSFGOVPSZGHKB-HQRYJHMPSA-N
XLogP1.87
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(1-aminoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide with MolForge

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Related Compounds

(1R,2S,5S)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 166156664
(1R,2S,5S)-N-[(1S)-1-aminoethyl]-3-[(2S)-2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 166156670
(1R,2S,5S)-N-[(1S)-1-amino-2-methylpropyl]-3-[(2S)-2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 166156873
(1R,2S,5S)-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 166156919
(2S)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6,6-dimethyl-3-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;methane
CID 166156988
(2S)-N-[(1S)-1-aminoethyl]-5,6,6-trimethyl-3-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 166157064
(1R,2S,5S)-N-[(1S)-1-aminoethyl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 166157132
N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-formamidopropanamide
CID 166157150
ethane;methyl formate;2-methylpropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide
CID 166157185
(1R,2S,5S)-N-[(1S)-1-amino-2-methylpropyl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 166157228
N-[1-amino-2-(2-oxopyrrolidin-3-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane
CID 166157254
(1R,2S,5S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 166157313

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide?
The IUPAC name of N-(1-aminoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide (CID 166156897) is N-(1-aminoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide.
What is the SMILES notation for N-(1-aminoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide?
The canonical SMILES for N-(1-aminoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide is CC(C)C.CC(N)NC=O.C[C@@H]1C2C(CN1C(=O)CNC(=O)C(F)(F)F)C2(C)C.
What is the InChIKey of N-(1-aminoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide?
The InChIKey is LTSFGOVPSZGHKB-HQRYJHMPSA-N. The full InChI is InChI=1S/C12H17F3N2O2.C4H10.C3H8N2O/c1-6-9-7(11(9,2)3)5-17(6)8(18)4-16-10(19)12(13,14)15;1-4(2)3;1-3(4)5-2-6/h6-7,9H,4-5H2,1-3H3,(H,16,19);4H,1-3H3;2-3H,4H2,1H3,(H,5,6)/t6-,7?,9?;;/m1../s1.
What are the key properties of N-(1-aminoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide?
N-(1-aminoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide has a molecular weight of 424.51 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethyl)formamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]acetamide is sourced from PubChem (CID 166156897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).